| SpectraBase Compound ID | 5EttAXDUMLy |
|---|---|
| InChI | InChI=1S/C64H94O7/c1-39(65)69-49-23-25-57(11)45(55(49,7)8)21-27-61(15)47(57)19-17-41-43-37-53(3,4)29-33-63(43,35-31-59(41,61)13)51(67)71-52(68)64-34-30-54(5,6)38-44(64)42-18-20-48-58(12)26-24-50(70-40(2)66)56(9,10)46(58)22-28-62(48,16)60(42,14)32-36-64/h17-20,45-50H,21-38H2,1-16H3/t45-,46-,47+,48+,49+,50+,57-,58-,59+,60+,61+,62+,63-,64-/m0/s1 |
| InChIKey | OETSCDNEBPSEFP-YEWXJKGWSA-N |
| Mol Weight | 975.4 g/mol |
| Molecular Formula | C64H94O7 |
| Exact Mass | 974.699955 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FjtPlfcGEjl |
|---|---|
| Name | 3-ALPHA-ACETOXY-OLEAN-11,13(18)-DIEN-28-OIC-AHYDRIDE |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C64H94O7 |
| InChI | InChI=1S/C64H94O7/c1-39(65)69-49-23-25-57(11)45(55(49,7)8)21-27-61(15)47(57)19-17-41-43-37-53(3,4)29-33-63(43,35-31-59(41,61)13)51(67)71-52(68)64-34-30-54(5,6)38-44(64)42-18-20-48-58(12)26-24-50(70-40(2)66)56(9,10)46(58)22-28-62(48,16)60(42,14)32-36-64/h17-20,45-50H,21-38H2,1-16H3/t45-,46-,47+,48+,49+,50+,57-,58-,59+,60+,61+,62+,63-,64-/m0/s1 |
| InChIKey | OETSCDNEBPSEFP-YEWXJKGWSA-N |
| Literature Reference Author | S.Y.CHENG,C.M.WANG,H.L.CHENG,H.J.CHEN,Y.M.HSU,Y.C.LIN,C.H.CH OU |
| Literature Reference Citation | MOLECULES,18,13003(2013) |
| Literature Reference DOI | 10.3390/molecules181013003 |
| Molecular Weight | 975.446 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWIR9815 |